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Implicit Solvation Methods for Catalysis at Electrified Interfaces

Chemical reviews, 2022-06, Vol.122 (12), p.10777-10820

2022

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Grand canonical simulations of electrochemical interfaces in implicit solvation models

The Journal of chemical physics, 2019-01, Vol.150 (4), p.041730-041730

2019

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Thermodynamic Cyclic Voltammograms Based on Ab Initio Calculations: Ag(111) in Halide-Containing Solutions

Journal of chemical theory and computation, 2021-03, Vol.17 (3), p.1782-1794

2021

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Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions

Journal of chemical theory and computation, 2023-12, Vol.19 (23), p.8815-8825

2023

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Electroreduction of CO2 in a Non-aqueous ElectrolyteThe Generic Role of Acetonitrile

ACS catalysis, 2023-05, Vol.13 (9), p.5780-5786

2023

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Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

npj computational materials, 2019-10, Vol.5 (1), p.1-6, Article 100

2019

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Next-generation sequencing identifies major DNA methylation changes during progression of Ph+ chronic myeloid leukemia

Leukemia, 2016-09, Vol.30 (9), p.1861-1868

2016

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Green operators in low regularity spacetimes and quantum field theory

Classical and quantum gravity, 2020-09, Vol.37 (17), p.175009

2020

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Semiconductor-metal transition induced by nanoscale stabilization

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (8), p.5569-5573

2015

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Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer

Journal of power sources, 2015-02, Vol.275, p.531-538

2015

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Migration und Gesundheit - von Defizitanalysen zum Diversity-Ansatz?

Gesundheitswesen (Bundesverband der Ärzte des Öffentlichen Gesundheitsdienstes (Germany)), 2011-05, Vol.73 (5), p.298-307

2011

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Converging Divergent Paths: Constant Charge vs Constant Potential Energetics in Computational Electrochemistry

Journal of physical chemistry. C, 2024-04, Vol.128 (13), p.5524-5531

2024

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Cavity formation at metal–water interfaces

The Journal of chemical physics, 2023-11, Vol.159 (19)

2023

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Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes?

ACS catalysis, 2022-05, Vol.12 (10), p.6143-6148

2022

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Polar Surface Energies of Iono-Covalent Materials: Implications of a Charge-Transfer Model Tested on Li2FeSiO4 Surfaces

Chemphyschem, 2014-07, Vol.15 (10), p.2058-2069

2014

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Controlled Electrochemical Barrier Calculations without Potential Control

Journal of chemical theory and computation, 2023-11, Vol.19 (22), p.8323-8331

2023

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Electrosorption at metal surfaces from first principles

npj computational materials, 2020-09, Vol.6 (1), Article 136

2020

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Using residual analysis, auto- and cross-correlations to identify key processes for the calibration of the SWAT model in a data scarce region

Advances in geosciences, 2012-07, Vol.31 (31), p.23-30

2012

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Electroreduction of CO 2 in a Non-aqueous Electrolyte-The Generic Role of Acetonitrile

ACS catalysis, 2023-05, Vol.13 (9), p.5780-5786

2023

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Static and dynamic water structures at interfaces: A case study with focus on Pt(111)

The Journal of chemical physics, 2021-11, Vol.155 (19), p.194702-194702

2021

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Accuracy, reproducibility and sensitivity of acoustic Doppler technology for velocity and discharge measurements in medium-sized rivers

Hydrological sciences journal, 2012-11, Vol.57 (8), p.1626-1641

2012

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Comparison of a simple and a spatially distributed hydrologic model for the simulation of a lowland catchment in Northern Germany

Ecological modelling, 2007-11, Vol.209 (1), p.21-28

2007

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Psychosoziale Gesundheit im Beruf - Utopie oder Notwendigkeit?

Gesundheitswesen (Bundesverband der Ärzte des Öffentlichen Gesundheitsdienstes (Germany)), 2008-02, Vol.70 (2), p.105-114

2008

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Development and application of a nitrogen simulation model in a data scarce catchment in South China

Agricultural water management, 2011-02, Vol.98 (4), p.619-631

2011

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A Comparison of Three Approaches to Predict Phytoplankton Biomass in Gonghu Bay of Lake Taihu

Journal of environmental informatics, 2014-09, Vol.24 (1), p.39-51

Huang, J. C.

2014

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Implicit Solvation Methods for Catalysis at Electrified Interfaces

Grand canonical simulations of electrochemical interfaces in implicit solvation models

Thermodynamic Cyclic Voltammograms Based on Ab Initio Calculations: Ag(111) in Halide-Containing Solutions

Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions

Electroreduction of CO2 in a Non-aqueous ElectrolyteThe Generic Role of Acetonitrile

Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

Next-generation sequencing identifies major DNA methylation changes during progression of Ph+ chronic myeloid leukemia

Green operators in low regularity spacetimes and quantum field theory

Semiconductor-metal transition induced by nanoscale stabilization

Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer

Migration und Gesundheit - von Defizitanalysen zum Diversity-Ansatz?

Converging Divergent Paths: Constant Charge vs Constant Potential Energetics in Computational Electrochemistry

Cavity formation at metal–water interfaces

Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes?

Polar Surface Energies of Iono-Covalent Materials: Implications of a Charge-Transfer Model Tested on Li2FeSiO4 Surfaces

Controlled Electrochemical Barrier Calculations without Potential Control

Electrosorption at metal surfaces from first principles

Using residual analysis, auto- and cross-correlations to identify key processes for the calibration of the SWAT model in a data scarce region

Electroreduction of CO 2 in a Non-aqueous Electrolyte-The Generic Role of Acetonitrile

Static and dynamic water structures at interfaces: A case study with focus on Pt(111)

Accuracy, reproducibility and sensitivity of acoustic Doppler technology for velocity and discharge measurements in medium-sized rivers

Comparison of a simple and a spatially distributed hydrologic model for the simulation of a lowland catchment in Northern Germany

Psychosoziale Gesundheit im Beruf - Utopie oder Notwendigkeit?

Development and application of a nitrogen simulation model in a data scarce catchment in South China

A Comparison of Three Approaches to Predict Phytoplankton Biomass in Gonghu Bay of Lake Taihu

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